SCHEMBL1676597

SCHEMBL1676597

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3ccc(OC)c(NS(C)(=O)=O)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.42
DRD2 P14416 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ACLY P53396 7/20 0.38
ALPL P05186 1/20 0.38
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1676594 1.00 NLRP3 (0.42) NLRP3DRD2POLBMAPTACLY
SCHEMBL1676404 0.94 ACLY (0.41) ACLY
SCHEMBL1676407 0.94 ACLY (0.41) ACLY
SCHEMBL1481778 0.90 DRD2 (0.44) NLRP3DRD2POLBMAPTALPL
SCHEMBL1481774 0.90 DRD2 (0.44) NLRP3DRD2POLBMAPTALPL
SCHEMBL1676589 0.89 SUV39H2 (0.39) DRD2POLBMAPTACLYSCN5A
SCHEMBL1676592 0.89 SUV39H2 (0.39) DRD2POLBMAPTACLYSCN5A
SCHEMBL1482034 0.88 DRD2 (0.43) NLRP3DRD2POLBMAPTALPL
SCHEMBL1482037 0.88 DRD2 (0.43) NLRP3DRD2POLBMAPTALPL
SCHEMBL1676352 0.88 NLRP3 (0.44) NLRP3DRD2POLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE NLRP3 1196/4885DRD2 4873/4885POLB 4497/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NLRP3 1196/4885DRD2 4873/4885POLB 4497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.